Geometry & MOs

Info

ID:	311664
PubChem CID:	126596849
Reduced:	ON3H29C32 (1)
Stoich.:	AB3C29D32 (1)
Weight, g/mol:	450.173213
ΔH_f, kcal/mol:	84.83
Dipole, Da:	4.51
IP(EA), eV:	-7.76(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-dibenzofuran-3-yl-2-(4-methyl-3,4-dihydrocarbazol-9-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1CC2=C(C=C1)N(C3=CC=CC=C23)C4=C(CCC=C4C5=CC6=C(C=C5)OC7=C6C=C(C=C7)NC)N

DOS

IR

Vibrations